SCHEMBL29326010

SCHEMBL29326010

Cc1nc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PDE8B O95263 1/20 0.40
OPRD1 P41143 1/20 0.40
PRMT5 O14744 1/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APP P05067 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29326054 0.85 IL1B (0.39) ALDH1A1PDE8BTSHRLMNAMEN1
SCHEMBL1598122 0.80 HCRTR1 (0.49) ALDH1A1OPRD1APPHTR1AADRA2A
SCHEMBL1598119 0.80 HCRTR1 (0.49) ALDH1A1OPRD1APPHTR1AADRA2A
SCHEMBL29326138 0.77 TRPV1 (0.44) OPRD1PRMT5TRPV1
SCHEMBL29131873 0.77 OPRD1 (0.46) ALDH1A1OPRD1PRMT5TSHRLMNA
SCHEMBL29131871 0.77 OPRD1 (0.46) ALDH1A1OPRD1PRMT5TSHRLMNA
SCHEMBL4237375 0.77 PDE8B (0.43) ALDH1A1PDE8BOPRD1PRMT5TSHR
SCHEMBL15056219 0.76 PRMT5 (0.43) ALDH1A1OPRD1PRMT5TSHRLMNA
SCHEMBL15056838 0.76 PRMT5 (0.43) ALDH1A1OPRD1PRMT5TSHRLMNA
SCHEMBL15056300 0.76 PRMT5 (0.43) ALDH1A1OPRD1PRMT5TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD ALDH1A1 1683/4885PDE8B 3592/4885OPRD1 4514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.